Compound Identification
SMILES
CCCN1C[C@@H](CC2[C@H]1CC1C(=O)N(C(C)C)C3=CC=CC2=C13)C(=O)OC1CCCCC1
InChIKey
InChIKey=HCNZWQSKOULXQP-BEBLGJCVSA-N
Formula
C27H38N2O3
Mass
438.612
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
-
Class
Ergoline and derivatives
- Subclass Lysergic acids and derivatives
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Class
Ergoline and derivatives
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Ergoline and derivatives
Subclass
Lysergic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Lysergic acids and derivatives
Alternative Parents
6,7-secoergolines Benzoquinolines Tetralins Isoindolones Indoles and derivatives Piperidinecarboxylic acids Aralkylamines Tertiary carboxylic acid amides Lactams Amino acids and derivatives Trialkylamines Carboxylic acid esters Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Lysergic acid or derivatives - 6,7-secoergoline - Benzoquinoline - Isoindolone - Tetralin - Quinoline - Indole or derivatives - Isoindole or derivatives - Piperidinecarboxylic acid - Aralkylamine - Benzenoid - Piperidine - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Lactam - Tertiary aliphatic amine - Tertiary amine - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Amine - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as lysergic acids and derivatives. These are alkaloids with a structure based on the lysergic acid skeleton.
External Descriptors
Not available